AG003VFX

134-63-4 | Lobeline hydrochloride

AG003VFX

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CAS Number	134-63-4
Catalog Number	AG003VFX(AGN-PC-0PKD5F)
Chemical Name	Lobeline hydrochloride
EC Number	205-150-2
IUPAC Name	2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone;hydrochloride
InChI	InChI=1S/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H
InChI Key	MKMYPTLXLWOUSO-UHFFFAOYSA-N
MDL Number	MFCD00082455
Molecular Formula	C22H28ClNO2
Molecular Weight	373.9162
NSC Number	757421
SMILES	Cl.CN1C(CC(O)C2=CC=CC=C2)CCCC1CC(=O)C1=CC=CC=C1
Synonyms	LOBELINE HYDROCHLORIDE, 134-63-4, 2-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethanone hydrochloride, Lobeline HCl, HSDB 3555, Lobelin hydrochloride, 63990-84-1, 2-(6-(beta-Hydroxyphenethyl)-1-methyl-2-piperidyl)acetophenone hydrochloride, (-)-Lobeline hydrochloride, Acetophenone, 2-(6-(beta-hydroxyphenethyl)-1-methyl-2-piperidyl)-, hydrochloride, Ethanone, 2-(6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl)-1-phenyl-, hydrochloride, SR-01000674047, 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone hydrochloride, Lobelinehydrochloride, (-)-Lobeline HCl, LOBELINE HCI, L-LOBELINE, Lobeline(hydrochloride), AC1L2FKU, C33H27NO2.HCl, SCHEMBL467022, SPECTRUM1500758, Jsp002102, CHEMBL1321024, CTK8B7898, HMS1921G12, Pharmakon1600-01500758, KS-00001F9G, ANW-58892, CCG-38841, NSC757421, AKOS016002128, MCULE-4011652998, NSC-757421, VA11188, NCGC00094847-01, NCGC00094847-02, AK-58284, AN-11883, I975, LS-13583, SC-79247, AX8009192, TR-004691, 4CH-023798, I06-0447, SR-01000674047-2, SR-01000674047-3, (-)-2-(6-(beta-Hydroxyphenethyl)-1-Methyl-2-Piperidyl)-Acetophenone Hydrochloride, 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-2-piperidyl]-1-phenyl-ethanone hydrochloride, 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone;hydrochloride, Zoolobelin, Lobron, Lobelinhydrochlorid, Lobelini hydrochloridum, Lobelinum hydrochloricum, -Lobeline Hydrochcloride, alpha-Lobeline hydrochloride, C22H27NO2.ClH, Lobeline hydrochloride [JAN], Lobeline Hydrochloride, 97%, UNII-96J834CB88, (-)-alpha-Lobeline hydrochloride, C22-H27-N-O2.Cl-H, CID46202, EINECS 205-150-2, ACN-052818, Acetophenone, 2-(6-(beta-hydroxyphenethyl)-1-methyl-2-piperidyl)-, hydrochloride, (-)-, Ethanone, 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenyl-, hydrochloride, 90-69-7, Ethanone, 2-(6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl)-1-phenyl-, hydrochloride, (2R-(2alpha,6alpha(S*)))-, Ethanone, 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenyl-, hydrochloride, [2R-[2.alpha.,6.alpha.(S*)]]-,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	373.181g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	373.921g/mol
Monoisotopic Mass	373.181g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1544

Certificate of Analysis

Lot Number